(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate

C3H8O9P2 — CID 10890310

IUPAC(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate
SMILESO=C(COP(=O)(O)O)COP(=O)(O)O
InChIInChI=1S/C3H8O9P2/c4-3(1-11-13(5,6)7)2-12-14(8,9)10/h1-2H2,(H2,5,6,7)(H2,8,9,10)
InChIKeyWWZHNXWNOWOTFS-UHFFFAOYSA-N
MW250.04 g/mol
LogP-1.23
Rot. Bonds6

About (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate

(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate (PubChem CID 10890310) has the molecular formula C3H8O9P2 and a molecular weight of 250.04 g/mol. Its IUPAC name is (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate
PubChem CID10890310
Molecular FormulaC3H8O9P2
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate
SMILESO=C(COP(=O)(O)O)COP(=O)(O)O
InChIInChI=1S/C3H8O9P2/c4-3(1-11-13(5,6)7)2-12-14(8,9)10/h1-2H2,(H2,5,6,7)(H2,8,9,10)
InChIKeyWWZHNXWNOWOTFS-UHFFFAOYSA-N
XLogP-1.23
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxopropyl trihydrogen diphosphate
CID 86022016
2-Oxobutyl phosphono hydrogen phosphate
CID 44363236
Phosphinyloxymethylketone
CID 87564477
Glycerone triphosphate
CID 88683783
Bis(3-hydroxy-2-oxopropyl) hydrogen phosphate
CID 90716176
(3-Hydroxy-2-oxopropyl) phosphono hydrogen phosphate
CID 57116248
Trihydroxy-(3-hydroxy-2-oxo-1-phosphonooxypropyl)phosphanium
CID 57195616
(2-Oxo-1-phosphonooxypropyl) phosphono hydrogen phosphate
CID 88664768
(3-Hydroperoxy-2-oxopropyl) dihydrogen phosphate
CID 91088895
(3-Hydroxy-2-oxopropyl) (2-oxo-3-phosphonooxypropyl) hydrogen phosphate
CID 137550612
Oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium
CID 154445325
Hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
CID 174800501

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate?
The IUPAC name of (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate (CID 10890310) is (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate.
What is the SMILES notation for (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate?
The canonical SMILES for (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate is O=C(COP(=O)(O)O)COP(=O)(O)O.
What is the InChIKey of (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate?
The InChIKey is WWZHNXWNOWOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O9P2/c4-3(1-11-13(5,6)7)2-12-14(8,9)10/h1-2H2,(H2,5,6,7)(H2,8,9,10).
What are the key properties of (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate?
(2-oxo-3-phosphonooxypropyl) dihydrogen phosphate has a molecular weight of 250.04 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phosphonooxypropyl) dihydrogen phosphate is sourced from PubChem (CID 10890310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).